N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide

C29H35ClN4O — CID 42872669

IUPACN-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1nn(-c2ccccc2Cl)c2c1CN(Cc1ccccc1)CC2)CC1CC1
InChIInChI=1S/C29H35ClN4O/c1-29(2,3)28(35)33(18-22-13-14-22)20-25-23-19-32(17-21-9-5-4-6-10-21)16-15-26(23)34(31-25)27-12-8-7-11-24(27)30/h4-12,22H,13-20H2,1-3H3
InChIKeyHPPIGPWERATCEE-UHFFFAOYSA-N
MW491.08 g/mol
LogP5.87
Rot. Bonds7

About N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide

N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide (PubChem CID 42872669) has the molecular formula C29H35ClN4O and a molecular weight of 491.08 g/mol. Its IUPAC name is N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide
PubChem CID42872669
Molecular FormulaC29H35ClN4O
Molecular Weight491.08 g/mol
Exact Mass490.25
IUPAC NameN-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1nn(-c2ccccc2Cl)c2c1CN(Cc1ccccc1)CC2)CC1CC1
InChIInChI=1S/C29H35ClN4O/c1-29(2,3)28(35)33(18-22-13-14-22)20-25-23-19-32(17-21-9-5-4-6-10-21)16-15-26(23)34(31-25)27-12-8-7-11-24(27)30/h4-12,22H,13-20H2,1-3H3
InChIKeyHPPIGPWERATCEE-UHFFFAOYSA-N
XLogP5.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.08
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-(cyclopropylmethyl)-4-fluoro-N-[[1-(2-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42871559
N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 42801982
N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide
CID 42806599
N-[[5-benzyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42872664
N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42801989
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 46074295
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2-methoxybenzamide
CID 46074300
N-cyclopropyl-N-[[5-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 42872565
3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
CID 42806490
N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
N-cyclopropyl-2-methoxy-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42872572

Frequently Asked Questions

What is the IUPAC name of N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide (CID 42872669) is N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(Cc1nn(-c2ccccc2Cl)c2c1CN(Cc1ccccc1)CC2)CC1CC1.
What is the InChIKey of N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide?
The InChIKey is HPPIGPWERATCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O/c1-29(2,3)28(35)33(18-22-13-14-22)20-25-23-19-32(17-21-9-5-4-6-10-21)16-15-26(23)34(31-25)27-12-8-7-11-24(27)30/h4-12,22H,13-20H2,1-3H3.
What are the key properties of N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide?
N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide has a molecular weight of 491.08 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 42872669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).